Synthesis of some new substituted 5-phenyl-3,4-dihydro-1H,2H-3,4-bipyrazole derivatives and evaluation for their biological activities

Abstract

• Synthesis of substituted 5-phenyl-3,4-dihydro-1H,2H-3,4-bipyrazole derivatives. • Antibacterial activity was done by agar well diffusion method. • In-vitro Cytotoxicity has been studied by MTT assay using doxorubicin as standard. • In silico molecular docking and ADME-toxicology has been performed. In this investigation, we have synthesized some new substituted 5-phenyl-3,4-dihydro-1 H ,2 H -3,4-bipyrazole derivatives and structures were confirmed by analytical and different spectroscopic methods. Also, these obtained compounds were screened for antibacterial, cytotoxicity and in silico docking studies. From antibacterial activity results revealed that, compound 3f shows the highest zone of inhibition (11 mm) as compared with standard Methicillin and cytotoxicity results suggested that the compound 3d has shown the least IC 50 value of 44.29±3.27 µg/mL as compared to standard Doxorubicin. Further, obtained compounds were subjected to in silico ADME studies; it infers that compounds obeyed all the five rules with good bioavailability. Additionally, in silico molecular docking results revealed that all the obtained compounds effectively interacted with thymidylate kinase and VEGFR2 proteins with good binding energies respectively. With the above findings, these compounds can be used as antibiotics and anticancer agents in medicinal field. Graphical Abstract .